Py4CAtS --- Python for Computational ATmospheric Spectroscopy

What's new?

March 21 --- Summer21 --- Fall 21 --- Winter 21/22 --- Summer 22

July 2015

The 'main' scripts (e.g. lbl2od) can now be used as functions inside the (I)Python interpreter.

October 2015

Sources thoroughly checked with Pep8, PyFlakes, and PyChecker
Script od2ri with function dod2ri added to compute radiation intensity

March 2016

A new function cgs in module cgsUnits.py for easier conversions of physical quantities
Improved ac2wf.py and od2ri functions/modules.

July 2016

Further source code checks with Pylint

Absorption coefficients and optical depths are now stored in subclassed numpy arrays acArray and odArray (similar to xsArray before)

September 2016

Atmospheric data: corrected "CH3CL" -> "CH3Cl"

Functions atlas (in module lines.py), acPlot (in module absCo.py), and odPlot (in module oDepth.py) rewritten (to exploit recursive calls)

October 2016

xs2ac corrected to allow single level atmosphere and cross sections

November 2016

od2ri corrected to allow atmospheric data starting at ToA

Some further checks of 'important' function arguments implemented

srf.py: wavenumber shift implemented in fts function

Atmospheric data sets: trace gas profiles saved in separate file

December 2016

Setup script py4cats.py 'generalized' for Windows (pathname construction!)

Line mixing added (first order, Voigt and Lorentz, "brute force" only)

read_line_file in the lines.py script now works recursively

atlas now also allows to plot voigtLines

misc.py: new function triSpec for convolution with triangular

moreFun.py: new function erfcx for exponentially scaled complementary error function

May 2017

Function atmPlot now can plot volume mixing ratios (instead of densities), too.
radiance2radiance clean-up

November 2017

New subclassed numpy array for radiance/intensity (i.e. the radiance array along with its attributes): single return variable of function dod2ri.
New function riPlot and updated/adjusted function riSave to plot and save radiance.
New function truncate in module misc.py

January 2018

atmos1D.py:
New function readVMR to read (trace) gas concentration data (i.e. without pressure and temperature);
Function merge_atmos1D can use pure VMR data as second input.
Atmospheric data sets clean-up, reorganized, ...

March 2018

py4cats.py:
Identification / location of path to source files reorganized

wgtFct.py:
(Unix/Linux/...) shell interface adjusted to acArray implementation

lbl2xs.py (and extract.py, hitran.py, geisa.py):
Pressure-induced line shift implemented

June 2018

lines.py --- function atlas: recoded to ensure common wavenumber axis for splitted plots

atmos1D.py: functions merge_atmos1D and regrid updated

Summer 2018

Code ported to Python 3 (the Python 2 code is frozen now!)

October 2018

lbl2xs.py --- a new option cpT to specify the pressure and temperature columns in the pT file
xs2ac.py, ac2od.py, xs2od.py --- new executable scripts to do these steps from the command line (i.e. "wrappers" for the corresponding functions to be called from the command line / (unix) terminal)
extract.py renamed to higstract.py consistent with the main function of this module

December 2018

radInt.py --- new module defining a subclassed array riArray for radiation-intensity, including functions for read, save, and plot

February 2019

Failed matplotlib imports: raise SystemExit errors replaced by print warnings

Module planck.py: new function dPlanck_Wavenumber_dT

Module higstract.py: new method strong for subclassed numpy array lineArray

Module radInt.py: info on spectral response added to legend produced by riPlot

Module wgtFct.py: new method convolve for subclassed numpy array wfArray

March 2019

Module radInt.py: inconsistencies of header comment lines between riSave and riRead removed

Python 2 sources (in directory src2) removed from tarball

April 2019

Broken/incorrect links from bin directory to ../src directory repaired (incorrectly to ../src3)

Module srf.py: function Triangle corrected

Demo file corrected: mls=atmos1D(...) ---> mls=atmRead(...)

May 2019

Py4CAtS paper published in Atmosphere 10(5), pp. 262, 2019

May-July 2019

Modules absCo.py, oDepth.py, xSection: old regrid methods removed

Module ac2wf.py: FoV loop in function ac2wf corrected to wfArray

Module atmos1D.py: function cmr with new (second) optional argument what; misc changes in functions atmRead, atmPlot

Module lbl2xs.py: function lbl2xs terminates with non-positive pressure or temperature

Module misc.py: function show_lambda more wavenumbers in NIR added

Module pairTypes.py: class Interval division corrected Python 2 __(r)div__ to Python 3 __(r)truediv__

Module radInt.py: new special method kelvin in class riArray to return equ. brightness temperature

Module wgtFct.py: function wfPlot: contour levels can be set explicitely, axis labels can be suppressed

Cosmetic changes in module ac2wf.py, aeiou.py, srf.py

September 2019 -- January 2020

Module aeiou.py: function loadxyy with new optional argument xLimits

Module cgsUnits: lengthsUnits: ly, pc added; functions lambda2nu, nu2lambda: first argument (wavelengths or wavenumbers) are variable list arguments

Module lineshapes.py: function Rautian now calling hum2wei32 (old: hum1wei24)

Module misc.py: function show_lambda with new arguments frmt, yShift, nanometer

Module py4cats.py: import show_lambda added;

Module oDepth.py: functions oDepth_altitudes, oDepth_pressures optionally return altitudes or pressures in km, mb, ....

Module xSection.py: function xsSave: third and fourth arguments swapped (interpolate <--> commentChar)
function xsRead: now can be called recursively

July 2020

Module convolution.py: functions convolveBox, convolveTriangle, convolveGauss: the number of grid points for the new wGrid is now evaluated as int()

Module myMatPlotLib.py: new module with some extra settings

Module py4cats.py: last section with matplotlib settings removed (now in new file myMatPlotLib.py)

March 2021

Source code now reorganized as a package
Source files are now distributed over three subdirectories

• lbl: modules related to lbl computations incl. Hitran/Geisa database access, Voigt routines etc.;
• art: modules related to atmospheric radiative transfer;
• aux: auxiliary modules that should/could be useful in any context, e.g. input/output routines.

The setup module py4cats.py is not required anymore, import of the Py4CAtS modules is now organized by the __init__.py files, in the (I)Python shell simply say
from py4cats import *

Spring - Summer 2021

  Plot functions

atmPlot, acPlot, odPlot, riPlot, xsPlot functions have an additional argument **kwArgs (passed thru to MatPlotLib's functions)
acPlot, odPlot, xsPlot with an additional argument xUnit (instead of flag mue or nm)

  Module art/ac2od.py:

column density now saved as an additional entry in the odArray instance

  Module aux/aerosol.py

new module for aerosol optical depth using simple power law (Angstrom coefficient)

  Module lbl/higstract.py

improved/extended support of "beyond Voigt" line parameters in SEOM database

  Module aux/ir.ry

added radiusEarth, radiusSun, radiusJupiter, massEarth, massSun, massJupiter

  Module lbl/lbl.py

functions lbl_2grids, lbl_3grids: defaults changed to gridRatio=8, lagrange=2;

function lbl_brute: handling/selection of "beyond Voigt" line shapes changed;

function lbl2xs: initial check of `lineshape` modified;

new function init_xSection: setup wavenumber grid (old,original function wavenumber2xs) and zero xs array

  Module lbl/lines.py

lineArray class info with better support of "beyond Voigt" parameters;

function xVoigt_parameters with support for "beyond Voigt" parameters (extended version of old `voigt_parameters`);

new function llInfo

  Module lbl/lineshapes.py

function argument `S` replaced by `strength`;

function Voigt: call hum1wei32 for tiny y (otherwise hum1wei24);

function Rautian: call hum1wei32 (original hum1wei24);

speed-dependent profiles: now calling sdv and sdr functions (in new module sdr)

  Module art/limb.py:

new module for limb (occultation) transmission and effective height

  Module lbl/molecules.py

new molecules (hitran20, geisa19/20) added

  Module art/oDepth.py

class odArray with new attribute column density;

convolve method with default Gauss;

new function odConvolve (calls class method for a list/dictionary of optical depths);

function odSave with new flag transmission to optionally save exp(-od);

functions oDepth_altitudes, oDepth_pressures can return data in non-cgs units (e.g. km or mb)

  Module art/od2ri.py

completely rewritten with added support for surface reflection etc

  Module aux/racef.py

new function hum1wei24w;
NOTE: all function except for zpf16p use two real arguments (x,y); zpf16p(z) is used by the sdr module/functions only!

  Module art/rayleigh.py

new module for Rayleigh extinction

  Module art/radInt.py

class riArray with new method noise;
convolve method with default Gauss;
new function riConvolve (calls class method for a list/dictionary of radiances);
function riRead now returns a dictionary of riArray's if all entries of the pickle file have a `key`;
function riSave: if called with a dictionary of riArray's, save each as dictionary with an extra `key`

  Module lbl/sdr.py

new module for speed-dependent Voigt and Rautian functions

  Module aux/srf.py

function HyperGauss: bug fix of sqrtLn2**3 ---> sqrtLn2**(1/3); function UltraGauss added

  Module aux/struc_array.py

new functions strucArrayChangeName and strucArrayUpdate

  Module art/wgtFct.py

function wfPeakHeight now returns altitudes in cm

Fall 2021

  Modules art/absCo.py and art/xs2ac.py

acArray attribute molec now saves a dictionary of molecules vs. number densities (old: only (absorbing) molecule names);
this dictionary is set by the xs2ac function and the densities are required by the cia(.py) module/function.

  Module lbl/lbl2od.py

three new options for function lbl2od to add cia, Rayleigh, and aerosol extinction to absorption coefficient(s) and optical depth(s)

  Module art/cia.py

new module for collision-induced absorption

Winter 2021/22

  Module art/atmos1D.py

The function atmPlot can plot all molecular profiles simultaneously with a call atmPlot(atmosData, what='*')

Function _atmosData2cgs: mass density is now removed from atmospheric data.

  Module art/oDepth.py

new class method dict for odArray

function _odSave_pickled: redundant code cleaned up by call of odArray.dict class method

function odInfo: now also accepting dictionary of odArrays

  Module art/radInt.py

new class methods dict and append for riArray

function _riSave_pickled: redundant code cleaned up by call of riArray.dict class method

function _riRead_pickled: redundant code cleaned up using call to new function dict2riArray

function riConvolve and class method convolve: new wavenumber grid can be set

new function riConcatenate (calling class method riArray.append repeatedly)

  Modules lbl/lbl2ac.py and lbl/lbl2od.py

In the corresponding functions a consistency test of atmospheric vs line data has been implemented: stop if line data are given, but no corresponding concentrations

  Module aux/misc.py

new function dict_items2groups

  Module aux/struc_array.py

new function strucArrayDef

  Module aux/pairTypes.py

new class method dict for the three pair classes

Interval initialization more flexible: now also accepts lists, dictionaries (with two elements), and pairs

  Numerous modules:

raise SystemExit replaced by more specific raise ValueError etc.

  html documentation updated

Spring/Summer 2022

  Module art/oDepth.py

new function odSum: alternative implementation of dod2tod
WARNING: slightly different total optical depth (see source file for discussion)

  Module aux/convolution.py

convolveBox, convolveTriangle with new option wGrid

convolveGauss with arguments rearranged

  Module aux/srf.py

new response function gaussBox

  Module aux/euGrid.py

new function gridStep

  Module aux/misc.py

new function dict_items2groups

  html documentation updated

subdirectories art, aux, lbl corresponding to the package structure